3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane

C₁₁₆H₁₁₀BBr₃N₂₄O₂Si — CID 157469509

About 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane

3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane (PubChem CID 157469509) has the molecular formula C₁₁₆H₁₁₀BBr₃N₂₄O₂Si and a molecular weight of 2150.93 g/mol. Its IUPAC name is 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane.

Molecular Properties

• Compound Name: 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane
• PubChem CID: 157469509
• Molecular Formula: C₁₁₆H₁₁₀BBr₃N₂₄O₂Si
• Molecular Weight: 2150.93 g/mol
• Exact Mass: 2146.67
• IUPAC Name: 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane
• SMILES: C#Cc1cnccc1C.CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3cnccc3C)cc2c1.CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3cnccc3C)cc2c1.Cc1ccncc1-c1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2[nH]1.Cc1ccncc1-c1cc2cc(Br)cnc2[nH]1.Cc1ccncc1Br.Cc1ccncc1C#C[Si](C)(C)C.Cc1ccncc1C#Cc1cc(Br)cnc1N
• InChI: InChI=1S/2C23H20N6.C19H22BN3O2.2C13H10BrN3.C11H15NSi.C8H7N.C6H6BrN/c2*1-3-29-22(11-20(28-29)16-5-4-7-24-12-16)18-9-17-10-21(27-23(17)26-13-18)19-14-25-8-6-15(19)2;1-12-6-7-21-11-15(12)16-9-13-8-14(10-22-17(13)23-16)20-24-18(2,3)19(4,5)25-20;1-8-2-3-15-7-11(8)12-5-9-4-10(14)6-16-13(9)17-12;1-9-4-5-16-7-11(9)3-2-10-6-12(14)8-17-13(10)15;1-10-5-7-12-9-11(10)6-8-13(2,3)4;1-3-8-6-9-5-4-7(8)2;1-5-2-3-8-4-6(5)7/h2*4-14H,3H2,1-2H3,(H,26,27);6-11H,1-5H3,(H,22,23);2-7H,1H3,(H,16,17);4-8H,1H3,(H2,15,17);5,7,9H,1-4H3;1,4-6H,2H3;2-4H,1H3
• InChIKey: BUWBBABGOARAFG-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 336.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.93
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane?

The IUPAC name of 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane (CID 157469509) is 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane.

What is the SMILES notation for 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane?

The canonical SMILES for 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane is C#Cc1cnccc1C.CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3cnccc3C)cc2c1.CCn1nc(-c2cccnc2)cc1-c1cnc2[nH]c(-c3cnccc3C)cc2c1.Cc1ccncc1-c1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2[nH]1.Cc1ccncc1-c1cc2cc(Br)cnc2[nH]1.Cc1ccncc1Br.Cc1ccncc1C#C[Si](C)(C)C.Cc1ccncc1C#Cc1cc(Br)cnc1N.

What is the InChIKey of 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane?

The InChIKey is BUWBBABGOARAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N6.C19H22BN3O2.2C13H10BrN3.C11H15NSi.C8H7N.C6H6BrN/c2*1-3-29-22(11-20(28-29)16-5-4-7-24-12-16)18-9-17-10-21(27-23(17)26-13-18)19-14-25-8-6-15(19)2;1-12-6-7-21-11-15(12)16-9-13-8-14(10-22-17(13)23-16)20-24-18(2,3)19(4,5)25-20;1-8-2-3-15-7-11(8)12-5-9-4-10(14)6-16-13(9)17-12;1-9-4-5-16-7-11(9)3-2-10-6-12(14)8-17-13(10)15;1-10-5-7-12-9-11(10)6-8-13(2,3)4;1-3-8-6-9-5-4-7(8)2;1-5-2-3-8-4-6(5)7/h2*4-14H,3H2,1-2H3,(H,26,27);6-11H,1-5H3,(H,22,23);2-7H,1H3,(H,16,17);4-8H,1H3,(H2,15,17);5,7,9H,1-4H3;1,4-6H,2H3;2-4H,1H3.

What are the key properties of 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane?

3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane has a molecular weight of 2150.93 g/mol, XLogP of 25.36, 11 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methylpyridine;5-bromo-3-[2-(4-methyl-3-pyridinyl)ethynyl]pyridin-2-amine;5-bromo-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;bis(5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine);3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(4-methyl-3-pyridinyl)ethynyl]silane is sourced from PubChem (CID 157469509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157469509 — identifiers, structure, computed properties (public domain)

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